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68039-15-6

68039-15-6 | 4,4'-(1e)-triaz-1-ene-1,3-diyldibenzenesulfonic acid

CAS No: 68039-15-6 Catalog No: AG006GE5 MDL No:

Product Description

Catalog Number:
AG006GE5
Chemical Name:
4,4'-(1e)-triaz-1-ene-1,3-diyldibenzenesulfonic acid
CAS Number:
68039-15-6
Molecular Formula:
C12H11N3O6S2
Molecular Weight:
357.3622
IUPAC Name:
N-[4-(2-hydroxyethylsulfonyl)-2,5-dimethoxyphenyl]acetamide
InChI:
InChI=1S/C12H17NO6S/c1-8(15)13-9-6-11(19-3)12(7-10(9)18-2)20(16,17)5-4-14/h6-7,14H,4-5H2,1-3H3,(H,13,15)
InChI Key:
OVVZJBVGJCOWFB-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc(cc1)N/N=N/c1ccc(cc1)S(=O)(=O)O
EC Number:
268-234-8

Properties

Complexity:
418  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.078g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
303.329g/mol
Monoisotopic Mass:
303.078g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

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